SMIRKS
[H]O[C:10]([C@@:7]([N:6]([H:70])[H:71])([C:8]([S:9][H:65])([H:66])[H:67])[H:69])=[O:11]>>[H]OC(=O)C([H])([H])N([H])[C:10]([C@@:7]([N:6]([H:70])[H:71])([C:8]([S:9][H:65])([H:66])[H:67])[H:69])=[O:11]
Derived Operators
EVODEX.1-F224 - Elemental Balance
| O | 1 |
| C | 2 |
| N | 1 |
| H | 3 |
EVODEX.1-M134 - Mass Difference
57.02149000000001
EVODEX.1-E941 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H]
EVODEX.1-C818 - Reaction Operator C
[H]-[#8]-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:16]
EVODEX.1-N1029 - Reaction Operator N
[H]-[#8]-[#6:16](-[#6@@:7])=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:16](-[#6@@:7])=[#8:17]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R7833
[N:13]([C:14]1:[N:15]:[C:16]([H:44]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:45]):[N:22]:2[C@:23]1([H:46])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:47])[O:31][P:32](=[O:33])([O:34][H:48])[O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50])([H:51])[H:52])([H:53])[C@:40]([O:41][H:54])([H:55])[C@:42]1([O:43][H:56])[H:57])([H:58])[H:59].[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:60])([H:61])[H:62])[H:63].[N:6]([C@@:7]([C:8]([S:9][H:65])([H:66])[H:67])([C:10](=[O:11])[O:12][H:68])[H:69])([H:70])[H:71]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:60])([H:61])[H:62])([C:10]([C@@:7]([N:6]([H:70])[H:71])([C:8]([S:9][H:65])([H:66])[H:67])[H:69])=[O:11])[H:63].[O:12]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:53])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:44]):[N:15]:[C:14]([N:13]([H:58])[H:59]):[C:19]:3:[N:20]:[C:21]:2[H:45])([H:46])[C@@:42]([O:43][H:56])([H:57])[C@@:40]1([O:41][H:54])[H:55])([H:51])[H:52])(=[O:29])[O:30][H:47])(=[O:33])[O:34][H:48])[H:68].[H][O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50]